1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine

C14H12BrClFNO — CID 81331494

IUPAC1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(F)cc(Br)c2)c(Cl)c1
InChIInChI=1S/C14H12BrClFNO/c1-18-8-9-2-3-14(13(16)4-9)19-12-6-10(15)5-11(17)7-12/h2-7,18H,8H2,1H3
InChIKeyBYJPFUWIDZBNJD-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.75
Rot. Bonds4

About 1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine

1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine (PubChem CID 81331494) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine
PubChem CID81331494
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(F)cc(Br)c2)c(Cl)c1
InChIInChI=1S/C14H12BrClFNO/c1-18-8-9-2-3-14(13(16)4-9)19-12-6-10(15)5-11(17)7-12/h2-7,18H,8H2,1H3
InChIKeyBYJPFUWIDZBNJD-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531214
1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 55112432
1-[4-(5-bromo-2-chlorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81154583
1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine
CID 81155007
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
CID 81155141
N-[[4-(3-bromo-5-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 81315502
1-[3-bromo-4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 79704143
1-[3-chloro-4-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81155419
1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43622080
1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine
CID 81152018
N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
CID 81154570
N-[[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]methyl]propan-2-amine
CID 114857581

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine (CID 81331494) is 1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine is CNCc1ccc(Oc2cc(F)cc(Br)c2)c(Cl)c1.
What is the InChIKey of 1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine?
The InChIKey is BYJPFUWIDZBNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-18-8-9-2-3-14(13(16)4-9)19-12-6-10(15)5-11(17)7-12/h2-7,18H,8H2,1H3.
What are the key properties of 1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine?
1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine has a molecular weight of 344.61 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine is sourced from PubChem (CID 81331494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).